Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7443687

COc1ccc(C(C(=O)O)N2CCC(N3CCN(c4ccc(C(=N)N)cc4)CC3)CC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.51

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.51
ITGA2B P08514 4/20 0.51
ALOX15 P16050 1/20 0.50
KDM4E B2RXH2 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
DPP4 P27487 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40
KCNH2 Q12809 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7445862 0.95 ITGB3 (0.56) ITGB3ITGA2BALOX15KDM4ETDP1
Trifluoroacetic Acid SCHEMBL7442158 0.89 ITGB3 (0.56) ITGB3ITGA2BALOX15KDM4ETDP1
Trifluoroacetic Acid SCHEMBL7432861 0.88 ITGB3 (0.53) ITGB3ITGA2BALOX15MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7445414 0.88 ITGB3 (0.51) ITGB3ITGA2BALOX15KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7439898 0.87 ITGB3 (0.52) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7446324 0.86 ITGB3 (0.53) ITGB3ITGA2BALOX15KDM4ETDP1
SCHEMBL7439908 0.86 ITGB3 (0.49) ITGB3ITGA2BALOX15KDM4ETDP1
SCHEMBL7489686 0.85 ITGB3 (0.56) ITGB3ITGA2BALOX15MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7441166 0.85 ITGB3 (0.50) ITGB3ITGA2BALOX15KDM4ETDP1
Trifluoroacetic Acid SCHEMBL7431494 0.85 ITGB3 (0.50) ITGB3ITGA2BALOX15KDM4ETDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed